6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid

C14H20N2O4S — CID 63874679

IUPAC6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC1CCC(N(C)S(=O)(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N2O4S/c1-10-3-6-12(7-4-10)16(2)21(19,20)13-8-5-11(9-15-13)14(17)18/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyCDBIFCADXXUJOY-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.98
Rot. Bonds4

About 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid

6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63874679) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63874679
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC1CCC(N(C)S(=O)(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N2O4S/c1-10-3-6-12(7-4-10)16(2)21(19,20)13-8-5-11(9-15-13)14(17)18/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyCDBIFCADXXUJOY-UHFFFAOYSA-N
XLogP1.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 102861024
6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872606
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 83830301
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306
5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 80631277
6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873942

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63874679) is 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid is CC1CCC(N(C)S(=O)(=O)c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is CDBIFCADXXUJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-3-6-12(7-4-10)16(2)21(19,20)13-8-5-11(9-15-13)14(17)18/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63874679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).